6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one

C19H18Cl2F3N3O — CID 143347814

IUPAC6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccc1C.CCc1c(C(F)(F)F)nc2ccc(Cl)nn12
InChIInChI=1S/C10H11ClO.C9H7ClF3N3/c1-7-3-4-10(11)6-9(7)5-8(2)12;1-2-5-8(9(11,12)13)14-7-4-3-6(10)15-16(5)7/h3-4,6H,5H2,1-2H3;3-4H,2H2,1H3
InChIKeyHEDBQRRBJPMDPZ-UHFFFAOYSA-N
MW432.27 g/mol
LogP5.74
Rot. Bonds3

About 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one

6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one (PubChem CID 143347814) has the molecular formula C19H18Cl2F3N3O and a molecular weight of 432.27 g/mol. Its IUPAC name is 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one.

Molecular Properties

Compound Name6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one
PubChem CID143347814
Molecular FormulaC19H18Cl2F3N3O
Molecular Weight432.27 g/mol
Exact Mass431.08
IUPAC Name6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one
SMILESCC(=O)Cc1cc(Cl)ccc1C.CCc1c(C(F)(F)F)nc2ccc(Cl)nn12
InChIInChI=1S/C10H11ClO.C9H7ClF3N3/c1-7-3-4-10(11)6-9(7)5-8(2)12;1-2-5-8(9(11,12)13)14-7-4-3-6(10)15-16(5)7/h3-4,6H,5H2,1-2H3;3-4H,2H2,1H3
InChIKeyHEDBQRRBJPMDPZ-UHFFFAOYSA-N
XLogP5.74
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.27
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-propylpyrrolidin-2-one
CID 15952659
1-[[6-chloro-2-(trifluoromethyl)imidazo[1,2-b]pyridazin-3-yl]methyl]-4-phenylpyrrolidin-2-one
CID 15952754
(3-chlorophenyl) 2-(5-chloro-2-methylphenyl)acetate
CID 144993627
4-chloro-2-ethyl-1-(trifluoromethyl)benzene;ethane
CID 144850606
2-ethyl-6-methyl-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 172759902
4-chloro-2-(2,2-dimethylpropyl)-1-methylbenzene
CID 20782922
1-(3-fluoro-2-hydroxy-6-methylphenyl)propan-2-one
CID 84658379
3-ethyl-2-(trifluoromethyl)imidazo[1,2-a]pyrazine-6-carboxylate
CID 154283331
1-(5-chloro-2-methylphenyl)-2-(2,5-dichlorophenyl)ethanone
CID 114973852
2-chloro-3-(5-chloro-2-methylphenyl)propanoyl chloride
CID 82054638
3-(5-chloro-2-methylphenyl)propyl acetate
CID 18984733
6-chloro-3-(2,6-difluoro-3-methylphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 82815259

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one?
The IUPAC name of 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one (CID 143347814) is 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one.
What is the SMILES notation for 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one?
The canonical SMILES for 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one is CC(=O)Cc1cc(Cl)ccc1C.CCc1c(C(F)(F)F)nc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one?
The InChIKey is HEDBQRRBJPMDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO.C9H7ClF3N3/c1-7-3-4-10(11)6-9(7)5-8(2)12;1-2-5-8(9(11,12)13)14-7-4-3-6(10)15-16(5)7/h3-4,6H,5H2,1-2H3;3-4H,2H2,1H3.
What are the key properties of 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one?
6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one has a molecular weight of 432.27 g/mol, XLogP of 5.74, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethyl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine;1-(5-chloro-2-methylphenyl)propan-2-one is sourced from PubChem (CID 143347814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).